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1c9e

STRUCTURE OF FERROCHELATASE WITH COPPER(II) N-METHYLMESOPORPHYRIN COMPLEX BOUND AT THE ACTIVE SITE

Method: X-RAY DIFFRACTION D_max: 67.1 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1c9e
deposition_date	1999-08-02
title	STRUCTURE OF FERROCHELATASE WITH COPPER(II) N-METHYLMESOPORPHYRIN COMPLEX BOUND AT THE ACTIVE SITE
keywords	BACILLUS SUBTILIS, CHELATASE, PORPHYRIN METALLATION, N-METHYLMESOPORPHYRIN, HEME SYNTHESIS, LYASE; LYASE
method	X-RAY DIFFRACTION

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Download Data

SAXS curve (.dat) P(r) distribution (.pr.out) Structure (CIF)

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2. SAXS Parameters (CRYSOL)

rg_guinier	20.99 Å
rg_electron	19.67 Å
i0	21114600.00
molecular_weight	35472.0 kDa
excluded_volume	44487 Å³
envelope_volume	50625 Å³
shell_volume	21463 Å³
envelope_diameter	66.9 Å
shell_rg	26.22 Å
envelope_rg	19.93 Å
shape_rg	19.65 Å
total_rg	20.63 Å
total_atoms	2504
n_residues	306
n_harmonics	20
q_range	— – 0.5000 Å⁻¹
n_points	101
shell_type	directional
solvent_density	0.3340 e/Å³
contrast_shell	0.0300 e/Å³
crysol_version	4.1.3

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3. P(r) Analysis (GNOM)

dmax	67.1 Å
rg_real	20.90 Å
rg_real_error	0.30 Å
i0_real	2.1110e+07
i0_real_error	2.6190e+05
rg_reciprocal	20.92 Å
i0_reciprocal	21110000.0000
total_estimate	0.8976
solution_quality	GOOD a GOOD solution
n_peaks	2
r_peak_primary	25.3 Å
skewness	0.242
kurtosis	-0.348
angular_range	— – 0.3800 Å⁻¹
current_alpha	0.0001
highest_alpha	4309000.0000
n_real_points	70
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.889; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.998; Smooth: 0.998

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4. Crystallography & Experiment

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5. Entities & Polymer Info (4)

Entity 1 polymer

description	PROTOHEME FERROLYASE
formula_weight	34885.1 kDa
ec_number	4.99.1.1
src_method	man
entity_count	1

Polymer

type	polypeptide(L)
strand_id	A
atom_count	2758

KMGLLVMAYGTPYKEEDIERYYTHIRRGRKPEPEMLQDLKDRYEAIGGISPLAQITEQQAHNLEQHLNEIQDEITFKAYIGLKHIEPFIEDAVAEMHKDGITEAVSIVLAPHFSTFSVQSYNKRAKEEAEKLGGLTITSVESWYDEPKFVTYWVDRVKETYASMPEDERENAMLIVSAHSLPEKIKEFGDPYPDQLHESAKLIAEGAGVSEYAVGWQSEGNTPDPWLGPDVQDLTRDLFEQKGYQAFVYVPVGFVADHLEVLYDNDYECKVVTDDIGASYYRPEMPNAKPEFIDALATVVLKKLGR

Source

organism	Bacillus subtilis
ncbi_taxonomy_id	1423
host_organism	Bacteria

Entity 2 non-polymer

description	MAGNESIUM ION
formula_weight	24.3 kDa
src_method	syn
entity_count	1

Entity 3 non-polymer

description	N-METHYLMESOPORPHYRIN CONTAINING COPPER
formula_weight	643.3 kDa
src_method	syn
entity_count	1

Entity 4 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	254

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6. Citations (1)

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length_a	49.840 Å
length_b	58.560 Å
length_c	98.020 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	90.00 °
z_pdb	4

space_group	P 21 21 21
int_tables_number	19
crystal_system	—

resolution	2.300 Å
resolution_low	20.000 Å
r_factor	0.1840
r_work	0.1840
r_free	0.2550

fit	/app/data/saxs_computation/c9/1c9e/1c9e.fit
pddf	/app/data/pr_computation/c9/1c9e/1c9e.pr.out
profile	/app/data/saxs_computation/c9/1c9e/1c9e.dat

STRUCTURE OF FERROCHELATASE WITH COPPER(II) N-METHYLMESOPORPHYRIN COMPLEX BOUND AT THE ACTIVE SITE

SAXS Profile

P(r) Distribution

1. Structure Basics

Download Data

2. SAXS Parameters (CRYSOL)

3. P(r) Analysis (GNOM)

4. Crystallography & Experiment

Unit Cell

Symmetry

Refinement

Diffraction